2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

C14H20F3NO2 — CID 116720833

IUPAC2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-4-19-13(9(2)3)12(18)10-7-5-6-8-11(10)20-14(15,16)17/h5-9,12-13H,4,18H2,1-3H3
InChIKeyOBDUIKUXVJLDGK-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.65
Rot. Bonds6

About 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 116720833) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID116720833
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCOC(C(C)C)C(N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NO2/c1-4-19-13(9(2)3)12(18)10-7-5-6-8-11(10)20-14(15,16)17/h5-9,12-13H,4,18H2,1-3H3
InChIKeyOBDUIKUXVJLDGK-UHFFFAOYSA-N
XLogP3.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
1-(2-chlorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720791
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
ethyl (3R)-3-amino-2-fluoro-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243069
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
1-(1-propoxyethyl)-2-(trifluoromethoxy)benzene
CID 67813246
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
ethyl 2-fluoro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]propanoate
CID 79366819
(1S,2R)-1-amino-3-methyl-1-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171269296
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
1-(2-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115853740

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (CID 116720833) is 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is CCOC(C(C)C)C(N)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is OBDUIKUXVJLDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-19-13(9(2)3)12(18)10-7-5-6-8-11(10)20-14(15,16)17/h5-9,12-13H,4,18H2,1-3H3.
What are the key properties of 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116720833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).